SCHEMBL5419830

SCHEMBL5419830

Clc1cccc(Cl)c1C1CCN(Cc2cn(Cc3ccccc3)c3ccccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.52
CACNB4 O00305 2/20 0.48
CACNA1A O00555 2/20 0.48
CACNA1G O43497 2/20 0.48
CACNG3 O60359 2/20 0.48
CACNA1F O60840 2/20 0.48
CACNA1H O95180 2/20 0.48
CACNB3 P54284 2/20 0.48
CACNA2D1 P54289 2/20 0.48
CACNG7 P62955 2/20 0.48
CACNA1B Q00975 2/20 0.48
CACNA1D Q01668 2/20 0.48
CACNB1 Q02641 2/20 0.48
CACNG1 Q06432 2/20 0.48
CACNB2 Q08289 2/20 0.48
CACNA1S Q13698 2/20 0.48
CACNA1C Q13936 2/20 0.48
CACNA1E Q15878 2/20 0.48
CACNA2D4 Q7Z3S7 2/20 0.48
CACNA2D3 Q8IZS8 2/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL5415214 0.99 CYP19A1 (0.51) CYP19A1CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL5420593 0.87 CACNB4 (0.53) CYP19A1CACNB4CACNA1ACACNA1GCACNG3
Hydrochloric Acid SCHEMBL5419186 0.86 CACNB4 (0.52) CYP19A1CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL5419406 0.86 HTR6 (0.43) CYP19A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL27990006 0.80 CACNB4 (0.57) CYP19A1CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL11893357 0.79 CACNB4 (0.72) CYP19A1CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL5415337 0.76 ALDH1A1 (0.49) CYP19A1ALDH1A1ATMPOLBHTR2A
Hydrochloric Acid SCHEMBL5415210 0.75 ALDH1A1 (0.51) CYP19A1ALDH1A1ATMPOLBHTR2A
SCHEMBL5425389 0.75 HTR2A (0.51) CYP19A1ALDH1A1ATMHTR2AKMT2A
Hydrochloric Acid SCHEMBL5425346 0.74 HTR2A (0.50) CYP19A1ALDH1A1ATMHTR2AKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197603-A1 Substituted indole ligands for the orl-1 receptor GLAXOSMITHKLINE S.P.A. (IT) 2007-08-23 US claimed
US-20070197603-A1 Substituted indole ligands for the orl-1 receptor GLAXOSMITHKLINE S.P.A. (IT) 2007-08-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070197603-A1 Substituted indole ligands for the orl-1 receptor OGFRL1, OPRL1, ORMDL3 CYP19A1 1766/4885CACNB4 1028/4885CACNA1A 917/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.